3-amino-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride

C19H29ClN2O2 — CID 119766866

IUPAC3-amino-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
SMILESCOc1c(C)cc(CN(C)C(=O)C2C3CCC(C3)C2N)cc1C.Cl
InChIInChI=1S/C19H28N2O2.ClH/c1-11-7-13(8-12(2)18(11)23-4)10-21(3)19(22)16-14-5-6-15(9-14)17(16)20;/h7-8,14-17H,5-6,9-10,20H2,1-4H3;1H
InChIKeyTVXXQXZDCHGDNE-UHFFFAOYSA-N
MW352.91 g/mol
LogP3.07
Rot. Bonds4

About 3-amino-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride

3-amino-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride (PubChem CID 119766866) has the molecular formula C19H29ClN2O2 and a molecular weight of 352.91 g/mol. Its IUPAC name is 3-amino-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
PubChem CID119766866
Molecular FormulaC19H29ClN2O2
Molecular Weight352.91 g/mol
Exact Mass352.19
IUPAC Name3-amino-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
SMILESCOc1c(C)cc(CN(C)C(=O)C2C3CCC(C3)C2N)cc1C.Cl
InChIInChI=1S/C19H28N2O2.ClH/c1-11-7-13(8-12(2)18(11)23-4)10-21(3)19(22)16-14-5-6-15(9-14)17(16)20;/h7-8,14-17H,5-6,9-10,20H2,1-4H3;1H
InChIKeyTVXXQXZDCHGDNE-UHFFFAOYSA-N
XLogP3.07
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.91
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride (CID 119766866) is 3-amino-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride is COc1c(C)cc(CN(C)C(=O)C2C3CCC(C3)C2N)cc1C.Cl.
What is the InChIKey of 3-amino-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The InChIKey is TVXXQXZDCHGDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2.ClH/c1-11-7-13(8-12(2)18(11)23-4)10-21(3)19(22)16-14-5-6-15(9-14)17(16)20;/h7-8,14-17H,5-6,9-10,20H2,1-4H3;1H.
What are the key properties of 3-amino-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
3-amino-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride has a molecular weight of 352.91 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride is sourced from PubChem (CID 119766866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).